[phenixbb] project defaults ncs.params not read or overridden/overwritten by GUI?
Pavel Afonine
PAfonine at lbl.gov
Thu Mar 25 08:36:02 PDT 2010
Hi Hari,
for whatever it's worth, if you run phenix.refine from the command line
the parameter "ncs.find_automatically=False" will preserve your original
NCS selections. Otherwise, "ncs.find_automatically=True", phenix.refine
will use your original NCS selections as a starting point to determine
the new ones.
Pavel.
On 3/25/10 3:58 AM, hari jayaram wrote:
> Hi I am quite sure I am doing something wrong , but the refinement
> seems to always re-determine the NCS definitions despite it being set
> in the ncs.params file in the project defaults directory.
>
> Here is what I did:
>
> 1. I set the NCS groups definition in the GUI to go from residues
> 35:445 ,
> 2. I check that using the view pick . Everything looks fine
> 3. I click the Green update and exit button
> 4. I look at the ncs.params file in the project defaults directory
> and it indeed reflects the changes .
> 5. I start the refinement from the GUI and the ncs section seems to
> have been reset to 26:450 . I even tried adding the ncs.params
> file to the Input files section, but to no avail. The ncs seems
> to always get re-determined and I end up getting an excessive
> distance stoppage of refinement. I even made sure I dont have
> the Find NCS restraints automatically button checked.
>
>
> Any idea why I cannot get the gui run refinement to remember my ncs
> definitions.
>
> Thanks in advance
> Hari
>
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